[2-(5-bromo-2,3-difluorophenoxy)phenyl]methanol

C13H9BrF2O2 — CID 107100181

IUPAC[2-(5-bromo-2,3-difluorophenoxy)phenyl]methanol
SMILESOCc1ccccc1Oc1cc(Br)cc(F)c1F
InChIInChI=1S/C13H9BrF2O2/c14-9-5-10(15)13(16)12(6-9)18-11-4-2-1-3-8(11)7-17/h1-6,17H,7H2
InChIKeyPTNOBGDJXJQGGJ-UHFFFAOYSA-N
MW315.11 g/mol
LogP4.01
Rot. Bonds3

About [2-(5-bromo-2,3-difluorophenoxy)phenyl]methanol

[2-(5-bromo-2,3-difluorophenoxy)phenyl]methanol (PubChem CID 107100181) has the molecular formula C13H9BrF2O2 and a molecular weight of 315.11 g/mol. Its IUPAC name is [2-(5-bromo-2,3-difluorophenoxy)phenyl]methanol.

Molecular Properties

Compound Name[2-(5-bromo-2,3-difluorophenoxy)phenyl]methanol
PubChem CID107100181
Molecular FormulaC13H9BrF2O2
Molecular Weight315.11 g/mol
Exact Mass313.98
IUPAC Name[2-(5-bromo-2,3-difluorophenoxy)phenyl]methanol
SMILESOCc1ccccc1Oc1cc(Br)cc(F)c1F
InChIInChI=1S/C13H9BrF2O2/c14-9-5-10(15)13(16)12(6-9)18-11-4-2-1-3-8(11)7-17/h1-6,17H,7H2
InChIKeyPTNOBGDJXJQGGJ-UHFFFAOYSA-N
XLogP4.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.11
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

[2-(5-bromo-2,3-difluorophenoxy)-5-fluorophenyl]methanol
CID 107100165
[2-(3-bromo-5-fluorophenoxy)phenyl]methanol
CID 81331819
[2-(2-bromo-4-chloro-5-fluorophenoxy)phenyl]methanol
CID 114042695
[2-(2-amino-5-bromo-4-fluorophenoxy)phenyl]methanol
CID 116736523
[2-[2-(aminomethyl)-5-bromophenoxy]phenyl]methanol
CID 63654318
[2-(3-bromo-4-fluorophenoxy)phenyl]methanol
CID 83235131
(1R)-1-[2-(5-bromo-2,3-difluorophenoxy)phenyl]propan-1-amine
CID 107099969
2-[3-(5-bromo-2,3-difluorophenoxy)propoxy]aniline
CID 107097705
[2-(2-amino-3,5-difluorophenoxy)phenyl]methanol
CID 113325423
[3-(5-bromo-2,3-difluorophenoxy)-2-pyridinyl]methanamine
CID 107097306
2-amino-3-(5-bromo-2,3-difluorophenoxy)benzamide
CID 107100826
(4-bromo-2-naphthalen-1-yloxyphenyl)methanol
CID 43174100

Frequently Asked Questions

What is the IUPAC name of [2-(5-bromo-2,3-difluorophenoxy)phenyl]methanol?
The IUPAC name of [2-(5-bromo-2,3-difluorophenoxy)phenyl]methanol (CID 107100181) is [2-(5-bromo-2,3-difluorophenoxy)phenyl]methanol.
What is the SMILES notation for [2-(5-bromo-2,3-difluorophenoxy)phenyl]methanol?
The canonical SMILES for [2-(5-bromo-2,3-difluorophenoxy)phenyl]methanol is OCc1ccccc1Oc1cc(Br)cc(F)c1F.
What is the InChIKey of [2-(5-bromo-2,3-difluorophenoxy)phenyl]methanol?
The InChIKey is PTNOBGDJXJQGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF2O2/c14-9-5-10(15)13(16)12(6-9)18-11-4-2-1-3-8(11)7-17/h1-6,17H,7H2.
What are the key properties of [2-(5-bromo-2,3-difluorophenoxy)phenyl]methanol?
[2-(5-bromo-2,3-difluorophenoxy)phenyl]methanol has a molecular weight of 315.11 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-bromo-2,3-difluorophenoxy)phenyl]methanol is sourced from PubChem (CID 107100181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).